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141 similar compounds to monomer 21173

Wt: 248.2
BDBM81925
Purchase
Wt: 326.3
BDBM50000415
Wt: 380.4
BDBM50043215
Wt: 262.3
BDBM50004577
Wt: 330.4
BDBM50004578
Wt: 332.4
BDBM50004579
Wt: 314.3
BDBM50004580
Wt: 288.3
BDBM50004581
Wt: 372.5
BDBM50004582
Wt: 344.4
BDBM50004583
Wt: 290.3
BDBM50004585
Wt: 316.3
BDBM50004586
Wt: 370.4
BDBM50004587
Wt: 342.4
BDBM50004588
Wt: 276.3
BDBM50004589
Displayed 1 to 15 (of 141 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 44 hits for monomerid = 81925,50000415,50043215,50004577,50004578,50004579,50004580,50004581,50004582,50004583,50004585,50004586,50004587,50004588,50004589   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM81925
PNG
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
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PubMed
0.460n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor


J Med Chem 33: 3127-30 (1991)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM81925
PNG
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
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0.5n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane using [3H]-CHA at 20 uM


J Med Chem 43: 1158-64 (2000)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50004583
PNG
(8-(Octahydro-pentalen-2-yl)-1,3-dipropyl-3,7-dihyd...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CCCC2C1
Show InChI InChI=1S/C19H28N4O2/c1-3-8-22-17-15(18(24)23(9-4-2)19(22)25)20-16(21-17)14-10-12-6-5-7-13(12)11-14/h12-14H,3-11H2,1-2H3,(H,20,21)
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0.75n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for binding affinity against Adenosine A1 receptor from rat forebrain membranes, using N6-[3H]- cyclohexyladenosine as radioligand


J Med Chem 36: 2508-18 (1993)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM81925
PNG
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
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1.40n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50004587
PNG
(8-Adamantan-1-yl-1,3-dipropyl-3,7-dihydro-purine-2...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C21H30N4O2/c1-3-5-24-17-16(18(26)25(6-4-2)20(24)27)22-19(23-17)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12H2,1-2H3,(H,22,23)
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1.5n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for binding affinity against Adenosine A1 receptor from rat forebrain membranes, using N6-[3H]- cyclohexyladenosine as radioligand


J Med Chem 36: 2508-18 (1993)

More data for this
Ligand-Target Pair
ADORA1


(Sheep)
BDBM81925
PNG
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
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2.90n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50004583
PNG
(8-(Octahydro-pentalen-2-yl)-1,3-dipropyl-3,7-dihyd...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CCCC2C1
Show InChI InChI=1S/C19H28N4O2/c1-3-8-22-17-15(18(24)23(9-4-2)19(22)25)20-16(21-17)14-10-12-6-5-7-13(12)11-14/h12-14H,3-11H2,1-2H3,(H,20,21)
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3.5n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand


J Med Chem 35: 3066-75 (1992)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50004583
PNG
(8-(Octahydro-pentalen-2-yl)-1,3-dipropyl-3,7-dihyd...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CCCC2C1
Show InChI InChI=1S/C19H28N4O2/c1-3-8-22-17-15(18(24)23(9-4-2)19(22)25)20-16(21-17)14-10-12-6-5-7-13(12)11-14/h12-14H,3-11H2,1-2H3,(H,20,21)
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3.5n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement.


J Med Chem 36: 2508-18 (1993)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50004587
PNG
(8-Adamantan-1-yl-1,3-dipropyl-3,7-dihydro-purine-2...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C21H30N4O2/c1-3-5-24-17-16(18(26)25(6-4-2)20(24)27)22-19(23-17)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12H2,1-2H3,(H,22,23)
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PubMed
4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in rat brain cortical membrane


Eur J Med Chem 46: 3590-607 (2011)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50004579
PNG
(1,3-Dibutyl-8-cyclopentyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)C1CCCC1
Show InChI InChI=1S/C18H28N4O2/c1-3-5-11-21-16-14(17(23)22(18(21)24)12-6-4-2)19-15(20-16)13-9-7-8-10-13/h13H,3-12H2,1-2H3,(H,19,20)
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4.20n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand


J Med Chem 35: 3066-75 (1992)

More data for this
Ligand-Target Pair
ADORA1


(HAMSTER)
BDBM81925
PNG
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
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4.30n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50004578
PNG
(8-Bicyclo[2.2.1]hept-2-yl-1,3-dipropyl-3,7-dihydro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CCC1C2
Show InChI InChI=1S/C18H26N4O2/c1-3-7-21-16-14(17(23)22(8-4-2)18(21)24)19-15(20-16)13-10-11-5-6-12(13)9-11/h11-13H,3-10H2,1-2H3,(H,19,20)
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4.40n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N6-[3H]cyclohexyladenosine binding to guinea pig forebrain membrane Adenosine A1 receptor


J Med Chem 35: 924-30 (1992)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50004578
PNG
(8-Bicyclo[2.2.1]hept-2-yl-1,3-dipropyl-3,7-dihydro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CCC1C2
Show InChI InChI=1S/C18H26N4O2/c1-3-7-21-16-14(17(23)22(8-4-2)18(21)24)19-15(20-16)13-10-11-5-6-12(13)9-11/h11-13H,3-10H2,1-2H3,(H,19,20)
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4.40n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand


J Med Chem 35: 3066-75 (1992)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM81925
PNG
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
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6.30n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM81925
PNG
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
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6.40n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM81925
PNG
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
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10.9n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM81925
PNG
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
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11n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1 receptor in rat cortical membranes


J Med Chem 32: 1873-9 (1989)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM81925
PNG
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
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11n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]-CHA or [3H]PIA as radioligand


J Med Chem 35: 407-22 (1992)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50004586
PNG
(8-Dicyclopropylmethyl-3-isobutyl-1-methyl-3,7-dihy...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)C(C1CC1)C1CC1
Show InChI InChI=1S/C17H24N4O2/c1-9(2)8-21-15-13(16(22)20(3)17(21)23)18-14(19-15)12(10-4-5-10)11-6-7-11/h9-12H,4-8H2,1-3H3,(H,18,19)
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12n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity carried out with [3H]-cyclohexyladenosine in guinea pig forebrain membranes against adenosine A1 receptor


J Med Chem 34: 466-9 (1991)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50004586
PNG
(8-Dicyclopropylmethyl-3-isobutyl-1-methyl-3,7-dihy...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)C(C1CC1)C1CC1
Show InChI InChI=1S/C17H24N4O2/c1-9(2)8-21-15-13(16(22)20(3)17(21)23)18-14(19-15)12(10-4-5-10)11-6-7-11/h9-12H,4-8H2,1-3H3,(H,18,19)
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12n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand


J Med Chem 35: 3066-75 (1992)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50004586
PNG
(8-Dicyclopropylmethyl-3-isobutyl-1-methyl-3,7-dihy...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)C(C1CC1)C1CC1
Show InChI InChI=1S/C17H24N4O2/c1-9(2)8-21-15-13(16(22)20(3)17(21)23)18-14(19-15)12(10-4-5-10)11-6-7-11/h9-12H,4-8H2,1-3H3,(H,18,19)
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12n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement.


J Med Chem 36: 2508-18 (1993)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50004587
PNG
(8-Adamantan-1-yl-1,3-dipropyl-3,7-dihydro-purine-2...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C21H30N4O2/c1-3-5-24-17-16(18(26)25(6-4-2)20(24)27)22-19(23-17)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12H2,1-2H3,(H,22,23)
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13n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement.


J Med Chem 36: 2508-18 (1993)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50004587
PNG
(8-Adamantan-1-yl-1,3-dipropyl-3,7-dihydro-purine-2...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C21H30N4O2/c1-3-5-24-17-16(18(26)25(6-4-2)20(24)27)22-19(23-17)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12H2,1-2H3,(H,22,23)
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13n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand


J Med Chem 35: 3066-75 (1992)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50004588
PNG
(8-(Hexahydro-2,5-methano-pentalen-3a-yl)-3-isobuty...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C19H26N4O2/c1-10(2)9-23-15-14(16(24)22(3)18(23)25)20-17(21-15)19-7-11-4-12(8-19)6-13(19)5-11/h10-13H,4-9H2,1-3H3,(H,20,21)
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15n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand


J Med Chem 35: 3066-75 (1992)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50004588
PNG
(8-(Hexahydro-2,5-methano-pentalen-3a-yl)-3-isobuty...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C19H26N4O2/c1-10(2)9-23-15-14(16(24)22(3)18(23)25)20-17(21-15)19-7-11-4-12(8-19)6-13(19)5-11/h10-13H,4-9H2,1-3H3,(H,20,21)
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15n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N6-[3H]cyclohexyladenosine binding to guinea pig forebrain membrane Adenosine A1 receptor


J Med Chem 35: 924-30 (1992)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50004589
PNG
(8-Cyclopentyl-1,3-diethyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)C1CCCC1
Show InChI InChI=1S/C14H20N4O2/c1-3-17-12-10(13(19)18(4-2)14(17)20)15-11(16-12)9-7-5-6-8-9/h9H,3-8H2,1-2H3,(H,15,16)
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19n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand


J Med Chem 35: 3066-75 (1992)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM81925
PNG
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
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24n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes


J Med Chem 32: 1231-7 (1989)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM81925
PNG
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
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26.1n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50004585
PNG
(8-Cyclopentyl-3-isobutyl-1-methyl-3,7-dihydro-puri...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C15H22N4O2/c1-9(2)8-19-13-11(14(20)18(3)15(19)21)16-12(17-13)10-6-4-5-7-10/h9-10H,4-8H2,1-3H3,(H,16,17)
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33n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand


J Med Chem 35: 3066-75 (1992)

More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM50004587
PNG
(8-Adamantan-1-yl-1,3-dipropyl-3,7-dihydro-purine-2...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C21H30N4O2/c1-3-5-24-17-16(18(26)25(6-4-2)20(24)27)22-19(23-17)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12H2,1-2H3,(H,22,23)
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82n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets


J Med Chem 33: 1906-10 (1990)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM81925
PNG
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
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95n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand


J Med Chem 35: 3066-75 (1992)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50043215
PNG
(8-(2-Phenyl-cyclopentyl)-1,3-dipropyl-3,9-dihydro-...)
Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C22H28N4O2/c1-3-13-25-20-18(21(27)26(14-4-2)22(25)28)23-19(24-20)17-12-8-11-16(17)15-9-6-5-7-10-15/h5-7,9-10,16-17H,3-4,8,11-14H2,1-2H3,(H,23,24)/t16-,17+/m1/s1
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164n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor was determined using radioligand [3H]-CHA in whole rat brain membranes at 25 degree C


J Med Chem 36: 4015-20 (1994)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50004580
PNG
(8-(Hexahydro-2,5-methano-pentalen-3a-yl)-3-propyl-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)[nH]c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C17H22N4O2/c1-2-3-21-13-12(14(22)20-16(21)23)18-15(19-13)17-7-9-4-10(8-17)6-11(17)5-9/h9-11H,2-8H2,1H3,(H,18,19)(H,20,22,23)
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370n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand


J Med Chem 35: 3066-75 (1992)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50004580
PNG
(8-(Hexahydro-2,5-methano-pentalen-3a-yl)-3-propyl-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)[nH]c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C17H22N4O2/c1-2-3-21-13-12(14(22)20-16(21)23)18-15(19-13)17-7-9-4-10(8-17)6-11(17)5-9/h9-11H,2-8H2,1H3,(H,18,19)(H,20,22,23)
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370n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N6-[3H]cyclohexyladenosine binding to guinea pig forebrain membrane Adenosine A1 receptor


J Med Chem 35: 924-30 (1992)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50000415
PNG
(CHEMBL156622)
Show SMILES CCCn1c2[nH]c(Cc3ccccc3)nc2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C18H22N4O2/c1-3-10-21-16-15(17(23)22(11-4-2)18(21)24)19-14(20-16)12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,19,20)
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891n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50004587
PNG
(8-Adamantan-1-yl-1,3-dipropyl-3,7-dihydro-purine-2...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C21H30N4O2/c1-3-5-24-17-16(18(26)25(6-4-2)20(24)27)22-19(23-17)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12H2,1-2H3,(H,22,23)
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PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane


Eur J Med Chem 46: 3590-607 (2011)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50004581
PNG
(8-Dicyclopropylmethyl-3-propyl-3,7-dihydro-purine-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)[nH]c1=O)C(C1CC1)C1CC1
Show InChI InChI=1S/C15H20N4O2/c1-2-7-19-13-11(14(20)18-15(19)21)16-12(17-13)10(8-3-4-8)9-5-6-9/h8-10H,2-7H2,1H3,(H,16,17)(H,18,20,21)
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1.30E+3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand


J Med Chem 35: 3066-75 (1992)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50004581
PNG
(8-Dicyclopropylmethyl-3-propyl-3,7-dihydro-purine-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)[nH]c1=O)C(C1CC1)C1CC1
Show InChI InChI=1S/C15H20N4O2/c1-2-7-19-13-11(14(20)18-15(19)21)16-12(17-13)10(8-3-4-8)9-5-6-9/h8-10H,2-7H2,1H3,(H,16,17)(H,18,20,21)
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1.30E+3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity carried out with [3H]-cyclohexyladenosine in guinea pig forebrain membranes against adenosine A1 receptor


J Med Chem 34: 466-9 (1991)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM81925
PNG
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
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1.30E+3n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells using [125I]-AB-MECA at 1 uM


J Med Chem 43: 1158-64 (2000)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50004577
PNG
(8-Cyclopentyl-3-propyl-3,7-dihydro-purine-2,6-dion...)
Show SMILES CCCn1c2nc([nH]c2c(=O)[nH]c1=O)C1CCCC1
Show InChI InChI=1S/C13H18N4O2/c1-2-7-17-11-9(12(18)16-13(17)19)14-10(15-11)8-5-3-4-6-8/h8H,2-7H2,1H3,(H,14,15)(H,16,18,19)
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1.40E+3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand


J Med Chem 35: 3066-75 (1992)

More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM81925
PNG
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
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1.44E+3n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)

More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50004587
PNG
(8-Adamantan-1-yl-1,3-dipropyl-3,7-dihydro-purine-2...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C21H30N4O2/c1-3-5-24-17-16(18(26)25(6-4-2)20(24)27)22-19(23-17)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12H2,1-2H3,(H,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to rat adenosine A3 receptor


Eur J Med Chem 46: 3590-607 (2011)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50004582
PNG
(8-Dicyclopropylmethyl-1,3,7-tripropyl-3,7-dihydro-...)
Show SMILES CCCn1c(nc2n(CCC)c(=O)n(CCC)c(=O)c12)C(C1CC1)C1CC1
Show InChI InChI=1S/C21H32N4O2/c1-4-11-23-17-19(22-18(23)16(14-7-8-14)15-9-10-15)24(12-5-2)21(27)25(13-6-3)20(17)26/h14-16H,4-13H2,1-3H3
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1.30E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity carried out with [3H]-cyclohexyladenosine in guinea pig forebrain membranes against adenosine A1 receptor


J Med Chem 34: 466-9 (1991)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50004582
PNG
(8-Dicyclopropylmethyl-1,3,7-tripropyl-3,7-dihydro-...)
Show SMILES CCCn1c(nc2n(CCC)c(=O)n(CCC)c(=O)c12)C(C1CC1)C1CC1
Show InChI InChI=1S/C21H32N4O2/c1-4-11-23-17-19(22-18(23)16(14-7-8-14)15-9-10-15)24(12-5-2)21(27)25(13-6-3)20(17)26/h14-16H,4-13H2,1-3H3
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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AffyNet 
PubMed
1.30E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand


J Med Chem 35: 3066-75 (1992)

More data for this
Ligand-Target Pair